Role of Dynamic Covalent Bond Density on the Structure and Properties of Vitrimers DOI
Hengheng Zhao, Zhenyuan Li,

Siqi Zhan

et al.

Macromolecules, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 26, 2024

Vitrimers, as a novel class of dynamic polymers, require precise regulation their and mechanical properties to achieve optimal, comprehensive performance. This study utilizes coarse-grained vitrimer elastomer model, composed simple linear polymer chains by varying cross-link densities (ρ), systematically investigate the structural, dynamic, vitrimers. The results demonstrate that system number density decreases with increasing ρ due repulsion between reactive sites. characteristic glass transition temperature (Tg) increases linearly such Tg ∼ ρ, while topological Tv exhibits nonmonotonic changes versus ρ. Interestingly, bond exchange autocorrelation function indicates rate reaches maximum at intermediate attributed competition mobility Mean square displacement analysis reveals beads decreased logarithm diffusion coefficients ln D −ρ. chain segment relaxation times different can be described an exponential equation τα exp(ρ/C), whole are more sensitive density. viscoelasticity via equilibrium molecular dynamics simulations indicate higher lead greater elasticity energy dissipation capabilities, indicated storage loss moduli, derived viscosity for various barriers (ΔEsw) universal following relation η0 Uniaxial triaxial tensile tests both show high ΔEsw systems exhibit strength low strains tight stable network structure, whereas strains, voids occur stress concentration breakage covalent bonds, which reduces strength, toughness, elongation break, compared lower systems. Therefore, optimal tailoring barrier capability most excellent performance vitrimer. These findings provide crucial theoretical guidelines design optimization

Language: Английский

Recyclable fire-retardant bio-based thermosets: From molecular engineering to performances and applications DOI Creative Commons
Yong Guo, Qingshan Yang, Siqi Huo

et al.

Progress in Polymer Science, Journal Year: 2025, Volume and Issue: unknown, P. 101935 - 101935

Published: March 1, 2025

Language: Английский

Citations

1
Current State-of-the-Art and Perspectives in the Design and Application of Vitrimeric Systems DOI Creative Commons
Diego Pugliese, Giulio Malucelli

Molecules, Journal Year: 2025, Volume and Issue: 30(3), P. 569 - 569

Published: Jan. 27, 2025

To fulfill the current circular economy concept, academic and industrial communities are devoting significant efforts to plastic materials’ end-of-life. Unlike thermoplastics, which easy recover re-valorize, recycling thermosets is still difficult challenging. Conversely, because of their network structure, thermosetting polymer systems exhibit peculiar features that make these materials preferable for several applications where high mechanical properties, chemical inertness, thermal stability, among others, demanded. In this view, vitrimers have quite recently attracted attention scientific community, as they can form dynamic covalent adaptive networks provide properties typical while keeping possibility being processed (and, therefore, mechanically recycled) beyond a certain temperature. This review aims an overview vitrimers, elucidating most recent advances posing some perspectives forthcoming years.

Language: Английский

Citations

0
PX-MDsim: a rapid and efficient platform for large-scale construction of polyamide membranes via automated molecular dynamics simulations DOI Creative Commons

Yiran Peng,

Chi Zhang,

Ming Wu

et al.

RSC Advances, Journal Year: 2025, Volume and Issue: 15(8), P. 5906 - 5915

Published: Jan. 1, 2025

We have developed an efficient automated platform to facilitate the construction of different simulated polyamide membranes, which has been validated in two example systems.

Language: Английский

Citations

0
Constitutive Modeling of Vitrimers and Their Nanocomposites Based on Transient Network Theory DOI
Md. Rezaul Karim, Franck J. Vernerey,

Trisha Sain

et al.

Macromolecules, Journal Year: 2025, Volume and Issue: unknown

Published: April 15, 2025

Language: Английский

Citations

0
Lipidic biomass as a renewable chemical building block for polymeric materials DOI
Rafael Turra Alarcon, Gabriel Iago dos Santos, Caroline Gaglieri

et al.

Chemical Communications, Journal Year: 2024, Volume and Issue: unknown

Published: Jan. 1, 2024

Polymers are intrinsically connected to modern society and found used in a variety of technologies. Although polymers valuable, concerns about synthetic derived from non-renewable sources have emerged. Therefore, there is need develop new polymeric materials renewable sources, especially those that cost-effective, non-toxic, widely available, not depleting designed be biodegradable after disposal. In this regard, perfect class resources the lipids (not soluble water), among which, we can find useful compounds such as triacylglycerols/triglycerides (vegetable oil), terpenes/terpenoids (essential oils), abietic acid (rosin resin). These liable modification monomers adhesives, 3D-printing, self-healing so on. However, these still suffer some limitations when compared polymers. feature article, will present description/review together with related their mechanical/chemical/physical properties applications.

Language: Английский

Citations

1
Source of Processable Vitrimer Viscosities: Swap Frequencies and Steric Factors DOI
Shalini J. Rukmani, Sungjin Kim, Md Anisur Rahman

et al.

Macromolecules, Journal Year: 2024, Volume and Issue: 57(23), P. 11020 - 11029

Published: Nov. 29, 2024

Language: Английский

Citations

1
Role of Dynamic Covalent Bond Density on the Structure and Properties of Vitrimers DOI
Hengheng Zhao, Zhenyuan Li,

Siqi Zhan

et al.

Macromolecules, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 26, 2024

Vitrimers, as a novel class of dynamic polymers, require precise regulation their and mechanical properties to achieve optimal, comprehensive performance. This study utilizes coarse-grained vitrimer elastomer model, composed simple linear polymer chains by varying cross-link densities (ρ), systematically investigate the structural, dynamic, vitrimers. The results demonstrate that system number density decreases with increasing ρ due repulsion between reactive sites. characteristic glass transition temperature (Tg) increases linearly such Tg ∼ ρ, while topological Tv exhibits nonmonotonic changes versus ρ. Interestingly, bond exchange autocorrelation function indicates rate reaches maximum at intermediate attributed competition mobility Mean square displacement analysis reveals beads decreased logarithm diffusion coefficients ln D −ρ. chain segment relaxation times different can be described an exponential equation τα exp(ρ/C), whole are more sensitive density. viscoelasticity via equilibrium molecular dynamics simulations indicate higher lead greater elasticity energy dissipation capabilities, indicated storage loss moduli, derived viscosity for various barriers (ΔEsw) universal following relation η0 Uniaxial triaxial tensile tests both show high ΔEsw systems exhibit strength low strains tight stable network structure, whereas strains, voids occur stress concentration breakage covalent bonds, which reduces strength, toughness, elongation break, compared lower systems. Therefore, optimal tailoring barrier capability most excellent performance vitrimer. These findings provide crucial theoretical guidelines design optimization

Language: Английский

Citations

0